9-{1-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-{1-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-{1-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
Compound ID: | 8009-2989 |
Compound Name: | 9-{1-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
Molecular Weight: | 575.54 |
Molecular Formula: | C33 H32 Cl2 N2 O3 |
Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cn(Cc3ccc(c(c3)[Cl])[Cl])nc2c2ccccc2)C(C1)=O |
Stereo: | ACHIRAL |
logP: | 6.8978 |
logD: | 6.8978 |
logSw: | -6.3244 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 48.178 |
InChI Key: | GWDOXUIVANHIQV-UHFFFAOYSA-N |